data_global
_chemical_name_mineral 'Dravite'
loop_
_publ_author_name
'Bosi F'
'Lucchesi S'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 16 
_journal_year 2004
_journal_page_first 335
_journal_page_last 344
_publ_section_title
;
 Crystal chemistry of the schorl-dravite series
 Note: Tourmaline TM233g
;
_database_code_amcsd 0007044
_chemical_compound_source 'Zillerthal, Tyrol, Austria'
_chemical_formula_sum 'Na.714 Ca.099 K.004 Al6.387 Mg2.151 Fe.486 Ti.039 Zn.012 V.003 Si5.922 B3 O30.995 F.004 H3.633'
_cell_length_a 15.9355
_cell_length_b 15.9355
_cell_length_c 7.2002
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1583.458
_exptl_crystal_density_diffrn      3.063
_symmetry_space_group_name_H-M 'R 3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
NaX   0.00000   0.00000   0.23279   0.71400
CaX   0.00000   0.00000   0.23279   0.09900
KX   0.00000   0.00000   0.23279   0.00400
AlY   0.12397   0.06199   0.63449   0.43300
MgY   0.12397   0.06199   0.63449   0.40900
Fe2+Y   0.12397   0.06199   0.63449   0.11000
Fe3+Y   0.12397   0.06199   0.63449   0.03000
Ti4+Y   0.12397   0.06199   0.63449   0.01300
ZnY   0.12397   0.06199   0.63449   0.00400
V3+Y   0.12397   0.06199   0.63449   0.00100
AlZ   0.29790   0.26155   0.61123   0.83500
MgZ   0.29790   0.26155   0.61123   0.15400
Fe3+Z   0.29790   0.26155   0.61123   0.01100
SiT   0.19179   0.18985   0.00000   0.98700
AlT   0.19179   0.18985   0.00000   0.01300
B   0.10974   0.21948   0.45483   1.00000
O-H1W   0.00000   0.00000   0.77236   0.63300
O1W   0.00000   0.00000   0.77236   0.36200
F1W   0.00000   0.00000   0.77236   0.00400
O2   0.06076   0.12152   0.48718   1.00000
O-H3V   0.26322   0.13161   0.51086   1.00000
O4   0.09314   0.18628   0.07098   1.00000
O5   0.18401   0.09200   0.09226   1.00000
O6   0.19531   0.18495   0.77724   1.00000
O7   0.28517   0.28492   0.07881   1.00000
O8   0.20924   0.26989   0.44054   1.00000